NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
647930 |
6ota   |
30609 | cing | 2-parsed | STAR | entry | full | 138 |
data_6ota_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ota
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_6ota 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ota
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 6ota "Master copy" parsed_6ota
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ota
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 6ota.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ota 1
1 6ota.mr . . XPLOR/CNS 2 distance NOE simple 104 parsed_6ota 1
1 6ota.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 28 parsed_6ota 1
1 6ota.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 6 parsed_6ota 1
1 6ota.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ota 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_6ota
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER TOXIN 02-MAY-19 6OTA
*TITLE THREE-DIMENSIONAL STRUCTURE IN SOLUTION OF THE RIBBON DISULFIDE ISOMER
*TITLE 2 OF THE NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONIST ALPHA-CONOTOXIN
*TITLE 3 TXIA
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ALPHA-CONOTOXIN TXIA;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: CONOTOXIN TX1A;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: CONUS TEXTILE;
*SOURCE 4 ORGANISM_COMMON: CLOTH-OF-GOLD CONE;
*SOURCE 5 ORGANISM_TAXID: 6494
*KEYWDS CONOTOXIN NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONIST, TOXIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR R.J.CLARK,A.NICKE
*REVDAT 1 06-MAY-20 6OTA 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6ota
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_6ota 1
2 1 . . . parsed_6ota 1
3 1 . . . parsed_6ota 1
4 1 . . . parsed_6ota 1
5 1 . . . parsed_6ota 1
6 1 . . . parsed_6ota 1
7 1 . . . parsed_6ota 1
8 1 . . . parsed_6ota 1
9 1 . . . parsed_6ota 1
10 1 . . . parsed_6ota 1
11 1 . . . parsed_6ota 1
12 1 . . . parsed_6ota 1
13 1 . . . parsed_6ota 1
14 1 . . . parsed_6ota 1
15 1 . . . parsed_6ota 1
16 1 . . . parsed_6ota 1
17 1 . . . parsed_6ota 1
18 1 . . . parsed_6ota 1
19 1 . . . parsed_6ota 1
20 1 . . . parsed_6ota 1
21 1 . . . parsed_6ota 1
22 1 . . . parsed_6ota 1
23 1 . . . parsed_6ota 1
24 1 . . . parsed_6ota 1
25 1 . . . parsed_6ota 1
26 1 . . . parsed_6ota 1
27 1 . . . parsed_6ota 1
28 1 . . . parsed_6ota 1
29 1 . . . parsed_6ota 1
30 1 . . . parsed_6ota 1
31 1 . . . parsed_6ota 1
32 1 . . . parsed_6ota 1
33 1 . . . parsed_6ota 1
34 1 . . . parsed_6ota 1
35 1 . . . parsed_6ota 1
36 1 . . . parsed_6ota 1
37 1 . . . parsed_6ota 1
38 1 . . . parsed_6ota 1
39 1 . . . parsed_6ota 1
40 1 . . . parsed_6ota 1
41 1 . . . parsed_6ota 1
42 1 . . . parsed_6ota 1
43 1 . . . parsed_6ota 1
44 1 . . . parsed_6ota 1
45 1 . . . parsed_6ota 1
46 1 . . . parsed_6ota 1
47 1 . . . parsed_6ota 1
48 1 . . . parsed_6ota 1
49 1 . . . parsed_6ota 1
50 1 . . . parsed_6ota 1
51 1 . . . parsed_6ota 1
52 1 . . . parsed_6ota 1
53 1 . . . parsed_6ota 1
54 1 . . . parsed_6ota 1
55 1 . . . parsed_6ota 1
56 1 . . . parsed_6ota 1
57 1 . . . parsed_6ota 1
58 1 . . . parsed_6ota 1
59 1 . . . parsed_6ota 1
60 1 . . . parsed_6ota 1
61 1 . . . parsed_6ota 1
62 1 . . . parsed_6ota 1
63 1 . . . parsed_6ota 1
64 1 . . . parsed_6ota 1
65 1 . . . parsed_6ota 1
66 1 . . . parsed_6ota 1
67 1 . . . parsed_6ota 1
68 1 . . . parsed_6ota 1
69 1 . . . parsed_6ota 1
70 1 . . . parsed_6ota 1
71 1 . . . parsed_6ota 1
72 1 . . . parsed_6ota 1
73 1 . . . parsed_6ota 1
74 1 . . . parsed_6ota 1
75 1 . . . parsed_6ota 1
76 1 . . . parsed_6ota 1
77 1 . . . parsed_6ota 1
78 1 . . . parsed_6ota 1
79 1 . . . parsed_6ota 1
80 1 . . . parsed_6ota 1
81 1 . . . parsed_6ota 1
82 1 . . . parsed_6ota 1
83 1 . . . parsed_6ota 1
84 1 . . . parsed_6ota 1
85 1 . . . parsed_6ota 1
86 1 . . . parsed_6ota 1
87 1 . . . parsed_6ota 1
88 1 . . . parsed_6ota 1
89 1 . . . parsed_6ota 1
90 1 . . . parsed_6ota 1
91 1 . . . parsed_6ota 1
92 1 . . . parsed_6ota 1
93 1 . . . parsed_6ota 1
94 1 . . . parsed_6ota 1
95 1 . . . parsed_6ota 1
96 1 . . . parsed_6ota 1
97 1 . . . parsed_6ota 1
98 1 . . . parsed_6ota 1
99 1 . . . parsed_6ota 1
100 1 . . . parsed_6ota 1
101 1 . . . parsed_6ota 1
102 1 . . . parsed_6ota 1
103 1 . . . parsed_6ota 1
104 1 . . . parsed_6ota 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 5 . HN parsed_6ota 1
1 1 2 . . . . . . . . . 5 . QD parsed_6ota 1
2 1 1 . . . . . . . . . 5 . HN parsed_6ota 1
2 1 2 . . . . . . . . . 5 . HB2 parsed_6ota 1
3 1 1 . . . . . . . . . 5 . HN parsed_6ota 1
3 1 2 . . . . . . . . . 5 . HB1 parsed_6ota 1
4 1 1 . . . . . . . . . 5 . HN parsed_6ota 1
4 1 2 . . . . . . . . . 5 . QG parsed_6ota 1
5 1 1 . . . . . . . . . 4 . HN parsed_6ota 1
5 1 2 . . . . . . . . . 4 . HB2 parsed_6ota 1
6 1 1 . . . . . . . . . 4 . HN parsed_6ota 1
6 1 2 . . . . . . . . . 4 . HB1 parsed_6ota 1
7 1 1 . . . . . . . . . 3 . HB2 parsed_6ota 1
7 1 2 . . . . . . . . . 4 . HN parsed_6ota 1
8 1 1 . . . . . . . . . 3 . HB1 parsed_6ota 1
8 1 2 . . . . . . . . . 4 . HN parsed_6ota 1
9 1 1 . . . . . . . . . 3 . HA parsed_6ota 1
9 1 2 . . . . . . . . . 4 . HN parsed_6ota 1
10 1 1 . . . . . . . . . 3 . HN parsed_6ota 1
10 1 2 . . . . . . . . . 3 . HB1 parsed_6ota 1
11 1 1 . . . . . . . . . 3 . HN parsed_6ota 1
11 1 2 . . . . . . . . . 3 . HB2 parsed_6ota 1
12 1 1 . . . . . . . . . 2 . HA parsed_6ota 1
12 1 2 . . . . . . . . . 3 . HN parsed_6ota 1
13 1 1 . . . . . . . . . 2 . HN parsed_6ota 1
13 1 2 . . . . . . . . . 2 . HB2 parsed_6ota 1
14 1 1 . . . . . . . . . 2 . HN parsed_6ota 1
14 1 2 . . . . . . . . . 2 . HB1 parsed_6ota 1
15 1 1 . . . . . . . . . 2 . HB1 parsed_6ota 1
15 1 2 . . . . . . . . . 3 . HN parsed_6ota 1
16 1 1 . . . . . . . . . 2 . HB2 parsed_6ota 1
16 1 2 . . . . . . . . . 3 . HN parsed_6ota 1
17 1 1 . . . . . . . . . 1 . QA parsed_6ota 1
17 1 2 . . . . . . . . . 2 . HN parsed_6ota 1
18 1 1 . . . . . . . . . 10 . HN parsed_6ota 1
18 1 2 . . . . . . . . . 10 . QB parsed_6ota 1
19 1 1 . . . . . . . . . 9 . HA parsed_6ota 1
19 1 2 . . . . . . . . . 10 . HN parsed_6ota 1
20 1 1 . . . . . . . . . 9 . HN parsed_6ota 1
20 1 2 . . . . . . . . . 9 . HB parsed_6ota 1
21 1 1 . . . . . . . . . 9 . HA parsed_6ota 1
21 1 2 . . . . . . . . . 9 . QD1 parsed_6ota 1
22 1 1 . . . . . . . . . 9 . HN parsed_6ota 1
22 1 2 . . . . . . . . . 9 . QG2 parsed_6ota 1
23 1 1 . . . . . . . . . 9 . HN parsed_6ota 1
23 1 2 . . . . . . . . . 9 . QD1 parsed_6ota 1
24 1 1 . . . . . . . . . 9 . QG2 parsed_6ota 1
24 1 2 . . . . . . . . . 10 . HN parsed_6ota 1
25 1 1 . . . . . . . . . 8 . HA parsed_6ota 1
25 1 2 . . . . . . . . . 9 . HN parsed_6ota 1
26 1 1 . . . . . . . . . 5 . HA parsed_6ota 1
26 1 2 . . . . . . . . . 6 . HD2 parsed_6ota 1
27 1 1 . . . . . . . . . 5 . HA parsed_6ota 1
27 1 2 . . . . . . . . . 6 . HD1 parsed_6ota 1
28 1 1 . . . . . . . . . 7 . HA parsed_6ota 1
28 1 2 . . . . . . . . . 8 . HN parsed_6ota 1
29 1 1 . . . . . . . . . 4 . HN parsed_6ota 1
29 1 2 . . . . . . . . . 5 . HN parsed_6ota 1
30 1 1 . . . . . . . . . 10 . QB parsed_6ota 1
30 1 2 . . . . . . . . . 11 . HN parsed_6ota 1
31 1 1 . . . . . . . . . 11 . HN parsed_6ota 1
31 1 2 . . . . . . . . . 11 . QB parsed_6ota 1
32 1 1 . . . . . . . . . 10 . HA parsed_6ota 1
32 1 2 . . . . . . . . . 11 . HN parsed_6ota 1
33 1 1 . . . . . . . . . 11 . HA parsed_6ota 1
33 1 2 . . . . . . . . . 12 . HN parsed_6ota 1
34 1 1 . . . . . . . . . 12 . HN parsed_6ota 1
34 1 2 . . . . . . . . . 12 . HB2 parsed_6ota 1
35 1 1 . . . . . . . . . 12 . HN parsed_6ota 1
35 1 2 . . . . . . . . . 12 . HB1 parsed_6ota 1
36 1 1 . . . . . . . . . 14 . HN parsed_6ota 1
36 1 2 . . . . . . . . . 14 . HB2 parsed_6ota 1
37 1 1 . . . . . . . . . 14 . HN parsed_6ota 1
37 1 2 . . . . . . . . . 14 . HB1 parsed_6ota 1
38 1 1 . . . . . . . . . 14 . HB2 parsed_6ota 1
38 1 2 . . . . . . . . . 15 . HN parsed_6ota 1
39 1 1 . . . . . . . . . 14 . HB1 parsed_6ota 1
39 1 2 . . . . . . . . . 15 . HN parsed_6ota 1
40 1 1 . . . . . . . . . 14 . HA parsed_6ota 1
40 1 2 . . . . . . . . . 15 . HN parsed_6ota 1
41 1 1 . . . . . . . . . 15 . HN parsed_6ota 1
41 1 2 . . . . . . . . . 15 . QD1 parsed_6ota 1
42 1 1 . . . . . . . . . 15 . HN parsed_6ota 1
42 1 2 . . . . . . . . . 15 . QD2 parsed_6ota 1
43 1 1 . . . . . . . . . 15 . HA parsed_6ota 1
43 1 2 . . . . . . . . . 16 . HN parsed_6ota 1
44 1 1 . . . . . . . . . 16 . HN parsed_6ota 1
44 1 2 . . . . . . . . . 16 . HB2 parsed_6ota 1
45 1 1 . . . . . . . . . 16 . HN parsed_6ota 1
45 1 2 . . . . . . . . . 16 . HB1 parsed_6ota 1
46 1 1 . . . . . . . . . 11 . HN parsed_6ota 1
46 1 2 . . . . . . . . . 12 . HN parsed_6ota 1
47 1 1 . . . . . . . . . 8 . HN parsed_6ota 1
47 1 2 . . . . . . . . . 9 . HN parsed_6ota 1
48 1 1 . . . . . . . . . 3 . HN parsed_6ota 1
48 1 2 . . . . . . . . . 16 . HN parsed_6ota 1
49 1 1 . . . . . . . . . 3 . HN parsed_6ota 1
49 1 2 . . . . . . . . . 15 . HA parsed_6ota 1
50 1 1 . . . . . . . . . 4 . HB1 parsed_6ota 1
50 1 2 . . . . . . . . . 5 . HN parsed_6ota 1
51 1 1 . . . . . . . . . 4 . HB2 parsed_6ota 1
51 1 2 . . . . . . . . . 5 . HN parsed_6ota 1
52 1 1 . . . . . . . . . 5 . HN parsed_6ota 1
52 1 2 . . . . . . . . . 6 . HD2 parsed_6ota 1
53 1 1 . . . . . . . . . 5 . HN parsed_6ota 1
53 1 2 . . . . . . . . . 6 . HD1 parsed_6ota 1
54 1 1 . . . . . . . . . 3 . HB2 parsed_6ota 1
54 1 2 . . . . . . . . . 5 . HN parsed_6ota 1
55 1 1 . . . . . . . . . 3 . HB1 parsed_6ota 1
55 1 2 . . . . . . . . . 5 . HN parsed_6ota 1
56 1 1 . . . . . . . . . 5 . HN parsed_6ota 1
56 1 2 . . . . . . . . . 15 . QD2 parsed_6ota 1
57 1 1 . . . . . . . . . 5 . HN parsed_6ota 1
57 1 2 . . . . . . . . . 15 . QD1 parsed_6ota 1
58 1 1 . . . . . . . . . 7 . HB2 parsed_6ota 1
58 1 2 . . . . . . . . . 8 . HN parsed_6ota 1
59 1 1 . . . . . . . . . 7 . HB1 parsed_6ota 1
59 1 2 . . . . . . . . . 8 . HN parsed_6ota 1
60 1 1 . . . . . . . . . 8 . HB2 parsed_6ota 1
60 1 2 . . . . . . . . . 10 . HN parsed_6ota 1
61 1 1 . . . . . . . . . 8 . HB1 parsed_6ota 1
61 1 2 . . . . . . . . . 10 . HN parsed_6ota 1
62 1 1 . . . . . . . . . 9 . HB parsed_6ota 1
62 1 2 . . . . . . . . . 10 . HN parsed_6ota 1
63 1 1 . . . . . . . . . 9 . QD1 parsed_6ota 1
63 1 2 . . . . . . . . . 10 . HN parsed_6ota 1
64 1 1 . . . . . . . . . 9 . QG2 parsed_6ota 1
64 1 2 . . . . . . . . . 11 . HN parsed_6ota 1
65 1 1 . . . . . . . . . 9 . QD1 parsed_6ota 1
65 1 2 . . . . . . . . . 11 . HN parsed_6ota 1
66 1 1 . . . . . . . . . 10 . HA parsed_6ota 1
66 1 2 . . . . . . . . . 12 . HN parsed_6ota 1
67 1 1 . . . . . . . . . 10 . QB parsed_6ota 1
67 1 2 . . . . . . . . . 12 . HN parsed_6ota 1
68 1 1 . . . . . . . . . 15 . QB parsed_6ota 1
68 1 2 . . . . . . . . . 16 . HN parsed_6ota 1
69 1 1 . . . . . . . . . 4 . HA parsed_6ota 1
69 1 2 . . . . . . . . . 16 . HN parsed_6ota 1
70 1 1 . . . . . . . . . 13 . HA parsed_6ota 1
70 1 2 . . . . . . . . . 15 . HN parsed_6ota 1
71 1 1 . . . . . . . . . 14 . HA parsed_6ota 1
71 1 2 . . . . . . . . . 16 . HN parsed_6ota 1
72 1 1 . . . . . . . . . 2 . HA parsed_6ota 1
72 1 2 . . . . . . . . . 16 . HN parsed_6ota 1
73 1 1 . . . . . . . . . 15 . QD1 parsed_6ota 1
73 1 2 . . . . . . . . . 16 . HN parsed_6ota 1
74 1 1 . . . . . . . . . 15 . QD2 parsed_6ota 1
74 1 2 . . . . . . . . . 16 . HN parsed_6ota 1
75 1 1 . . . . . . . . . 2 . HN parsed_6ota 1
75 1 2 . . . . . . . . . 2 . QB parsed_6ota 1
76 1 1 . . . . . . . . . 2 . QB parsed_6ota 1
76 1 2 . . . . . . . . . 3 . HN parsed_6ota 1
77 1 1 . . . . . . . . . 2 . QB parsed_6ota 1
77 1 2 . . . . . . . . . 16 . HN parsed_6ota 1
78 1 1 . . . . . . . . . 3 . HN parsed_6ota 1
78 1 2 . . . . . . . . . 3 . QB parsed_6ota 1
79 1 1 . . . . . . . . . 3 . QB parsed_6ota 1
79 1 2 . . . . . . . . . 4 . HN parsed_6ota 1
80 1 1 . . . . . . . . . 3 . QB parsed_6ota 1
80 1 2 . . . . . . . . . 5 . HN parsed_6ota 1
81 1 1 . . . . . . . . . 3 . QB parsed_6ota 1
81 1 2 . . . . . . . . . 15 . HA parsed_6ota 1
82 1 1 . . . . . . . . . 4 . QB parsed_6ota 1
82 1 2 . . . . . . . . . 5 . HN parsed_6ota 1
83 1 1 . . . . . . . . . 5 . HN parsed_6ota 1
83 1 2 . . . . . . . . . 5 . QB parsed_6ota 1
84 1 1 . . . . . . . . . 5 . HN parsed_6ota 1
84 1 2 . . . . . . . . . 6 . QD parsed_6ota 1
85 1 1 . . . . . . . . . 5 . QB parsed_6ota 1
85 1 2 . . . . . . . . . 6 . QD parsed_6ota 1
86 1 1 . . . . . . . . . 5 . QG parsed_6ota 1
86 1 2 . . . . . . . . . 6 . QD parsed_6ota 1
87 1 1 . . . . . . . . . 6 . QB parsed_6ota 1
87 1 2 . . . . . . . . . 7 . HA parsed_6ota 1
88 1 1 . . . . . . . . . 6 . QB parsed_6ota 1
88 1 2 . . . . . . . . . 8 . HN parsed_6ota 1
89 1 1 . . . . . . . . . 7 . QB parsed_6ota 1
89 1 2 . . . . . . . . . 8 . HN parsed_6ota 1
90 1 1 . . . . . . . . . 8 . HN parsed_6ota 1
90 1 2 . . . . . . . . . 8 . QB parsed_6ota 1
91 1 1 . . . . . . . . . 8 . QB parsed_6ota 1
91 1 2 . . . . . . . . . 9 . HN parsed_6ota 1
92 1 1 . . . . . . . . . 8 . QB parsed_6ota 1
92 1 2 . . . . . . . . . 10 . HN parsed_6ota 1
93 1 1 . . . . . . . . . 9 . HN parsed_6ota 1
93 1 2 . . . . . . . . . 9 . QG1 parsed_6ota 1
94 1 1 . . . . . . . . . 9 . QG1 parsed_6ota 1
94 1 2 . . . . . . . . . 10 . HN parsed_6ota 1
95 1 1 . . . . . . . . . 9 . QG1 parsed_6ota 1
95 1 2 . . . . . . . . . 11 . HN parsed_6ota 1
96 1 1 . . . . . . . . . 9 . QG1 parsed_6ota 1
96 1 2 . . . . . . . . . 12 . HN parsed_6ota 1
97 1 1 . . . . . . . . . 11 . HN parsed_6ota 1
97 1 2 . . . . . . . . . 11 . QD2 parsed_6ota 1
98 1 1 . . . . . . . . . 12 . HN parsed_6ota 1
98 1 2 . . . . . . . . . 12 . QB parsed_6ota 1
99 1 1 . . . . . . . . . 12 . HN parsed_6ota 1
99 1 2 . . . . . . . . . 15 . QQD parsed_6ota 1
100 1 1 . . . . . . . . . 12 . QB parsed_6ota 1
100 1 2 . . . . . . . . . 12 . QD2 parsed_6ota 1
101 1 1 . . . . . . . . . 14 . HN parsed_6ota 1
101 1 2 . . . . . . . . . 14 . QB parsed_6ota 1
102 1 1 . . . . . . . . . 15 . HN parsed_6ota 1
102 1 2 . . . . . . . . . 15 . QQD parsed_6ota 1
103 1 1 . . . . . . . . . 15 . QQD parsed_6ota 1
103 1 2 . . . . . . . . . 16 . HN parsed_6ota 1
104 1 1 . . . . . . . . . 16 . HN parsed_6ota 1
104 1 2 . . . . . . . . . 16 . QB parsed_6ota 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 5.49 0.00 5.49 parsed_6ota 1
2 1 . . . . . 4.17 0.00 4.17 parsed_6ota 1
3 1 . . . . . 4.17 0.00 4.17 parsed_6ota 1
4 1 . . . . . 4.34 0.00 4.34 parsed_6ota 1
5 1 . . . . . 3.99 0.00 3.99 parsed_6ota 1
6 1 . . . . . 3.99 0.00 3.99 parsed_6ota 1
7 1 . . . . . 4.84 0.00 4.84 parsed_6ota 1
8 1 . . . . . 4.84 0.00 4.84 parsed_6ota 1
9 1 . . . . . 3.02 0.00 3.02 parsed_6ota 1
10 1 . . . . . 3.71 0.00 3.71 parsed_6ota 1
11 1 . . . . . 3.71 0.00 3.71 parsed_6ota 1
12 1 . . . . . 3.20 0.00 3.20 parsed_6ota 1
13 1 . . . . . 3.90 0.00 3.90 parsed_6ota 1
14 1 . . . . . 3.90 0.00 3.90 parsed_6ota 1
15 1 . . . . . 4.20 0.00 4.20 parsed_6ota 1
16 1 . . . . . 4.20 0.00 4.20 parsed_6ota 1
17 1 . . . . . 3.09 0.00 3.09 parsed_6ota 1
18 1 . . . . . 3.29 0.00 3.29 parsed_6ota 1
19 1 . . . . . 3.52 0.00 3.52 parsed_6ota 1
20 1 . . . . . 3.65 0.00 3.65 parsed_6ota 1
21 1 . . . . . 4.61 0.00 4.61 parsed_6ota 1
22 1 . . . . . 4.01 0.00 4.01 parsed_6ota 1
23 1 . . . . . 4.85 0.00 4.85 parsed_6ota 1
24 1 . . . . . 4.12 0.00 4.12 parsed_6ota 1
25 1 . . . . . 3.34 0.00 3.34 parsed_6ota 1
26 1 . . . . . 3.42 0.00 3.42 parsed_6ota 1
27 1 . . . . . 3.42 0.00 3.42 parsed_6ota 1
28 1 . . . . . 2.83 0.00 2.83 parsed_6ota 1
29 1 . . . . . 3.32 0.00 3.32 parsed_6ota 1
30 1 . . . . . 3.78 0.00 3.78 parsed_6ota 1
31 1 . . . . . 3.51 0.00 3.51 parsed_6ota 1
32 1 . . . . . 3.31 0.00 3.31 parsed_6ota 1
33 1 . . . . . 3.49 0.00 3.49 parsed_6ota 1
34 1 . . . . . 3.71 0.00 3.71 parsed_6ota 1
35 1 . . . . . 3.71 0.00 3.71 parsed_6ota 1
36 1 . . . . . 3.85 0.00 3.85 parsed_6ota 1
37 1 . . . . . 3.85 0.00 3.85 parsed_6ota 1
38 1 . . . . . 4.60 0.00 4.60 parsed_6ota 1
39 1 . . . . . 4.60 0.00 4.60 parsed_6ota 1
40 1 . . . . . 3.28 0.00 3.28 parsed_6ota 1
41 1 . . . . . 5.17 0.00 5.17 parsed_6ota 1
42 1 . . . . . 5.17 0.00 5.17 parsed_6ota 1
43 1 . . . . . 3.09 0.00 3.09 parsed_6ota 1
44 1 . . . . . 4.17 0.00 4.17 parsed_6ota 1
45 1 . . . . . 4.17 0.00 4.17 parsed_6ota 1
46 1 . . . . . 3.99 0.00 3.99 parsed_6ota 1
47 1 . . . . . 5.14 0.00 5.14 parsed_6ota 1
48 1 . . . . . 4.99 0.00 4.99 parsed_6ota 1
49 1 . . . . . 4.45 0.00 4.45 parsed_6ota 1
50 1 . . . . . 4.74 0.00 4.74 parsed_6ota 1
51 1 . . . . . 4.74 0.00 4.74 parsed_6ota 1
52 1 . . . . . 5.31 0.00 5.31 parsed_6ota 1
53 1 . . . . . 5.31 0.00 5.31 parsed_6ota 1
54 1 . . . . . 5.27 0.00 5.27 parsed_6ota 1
55 1 . . . . . 5.27 0.00 5.27 parsed_6ota 1
56 1 . . . . . 5.50 0.00 5.50 parsed_6ota 1
57 1 . . . . . 5.50 0.00 5.50 parsed_6ota 1
58 1 . . . . . 4.28 0.00 4.28 parsed_6ota 1
59 1 . . . . . 4.28 0.00 4.28 parsed_6ota 1
60 1 . . . . . 5.48 0.00 5.48 parsed_6ota 1
61 1 . . . . . 5.48 0.00 5.48 parsed_6ota 1
62 1 . . . . . 3.81 0.00 3.81 parsed_6ota 1
63 1 . . . . . 5.46 0.00 5.46 parsed_6ota 1
64 1 . . . . . 4.64 0.00 4.64 parsed_6ota 1
65 1 . . . . . 5.50 0.00 5.50 parsed_6ota 1
66 1 . . . . . 5.19 0.00 5.19 parsed_6ota 1
67 1 . . . . . 5.01 0.00 5.01 parsed_6ota 1
68 1 . . . . . 3.88 0.00 3.88 parsed_6ota 1
69 1 . . . . . 5.31 0.00 5.31 parsed_6ota 1
70 1 . . . . . 5.50 0.00 5.50 parsed_6ota 1
71 1 . . . . . 4.94 0.00 4.94 parsed_6ota 1
72 1 . . . . . 5.13 0.00 5.13 parsed_6ota 1
73 1 . . . . . 5.33 0.00 5.33 parsed_6ota 1
74 1 . . . . . 5.33 0.00 5.33 parsed_6ota 1
75 1 . . . . . 3.42 0.00 3.42 parsed_6ota 1
76 1 . . . . . 3.36 0.00 3.36 parsed_6ota 1
77 1 . . . . . 3.85 0.00 3.85 parsed_6ota 1
78 1 . . . . . 3.11 0.00 3.11 parsed_6ota 1
79 1 . . . . . 4.00 0.00 4.00 parsed_6ota 1
80 1 . . . . . 4.39 0.00 4.39 parsed_6ota 1
81 1 . . . . . 4.22 0.00 4.22 parsed_6ota 1
82 1 . . . . . 4.12 0.00 4.12 parsed_6ota 1
83 1 . . . . . 3.64 0.00 3.64 parsed_6ota 1
84 1 . . . . . 4.46 0.00 4.46 parsed_6ota 1
85 1 . . . . . 4.12 0.00 4.12 parsed_6ota 1
86 1 . . . . . 4.76 0.00 4.76 parsed_6ota 1
87 1 . . . . . 3.63 0.00 3.63 parsed_6ota 1
88 1 . . . . . 4.96 0.00 4.96 parsed_6ota 1
89 1 . . . . . 3.70 0.00 3.70 parsed_6ota 1
90 1 . . . . . 3.28 0.00 3.28 parsed_6ota 1
91 1 . . . . . 3.68 0.00 3.68 parsed_6ota 1
92 1 . . . . . 4.77 0.00 4.77 parsed_6ota 1
93 1 . . . . . 3.90 0.00 3.90 parsed_6ota 1
94 1 . . . . . 4.39 0.00 4.39 parsed_6ota 1
95 1 . . . . . 4.52 0.00 4.52 parsed_6ota 1
96 1 . . . . . 4.85 0.00 4.85 parsed_6ota 1
97 1 . . . . . 5.32 0.00 5.32 parsed_6ota 1
98 1 . . . . . 3.21 0.00 3.21 parsed_6ota 1
99 1 . . . . . 4.86 0.00 4.86 parsed_6ota 1
100 1 . . . . . 3.09 0.00 3.09 parsed_6ota 1
101 1 . . . . . 3.25 0.00 3.25 parsed_6ota 1
102 1 . . . . . 4.49 0.00 4.49 parsed_6ota 1
103 1 . . . . . 4.55 0.00 4.55 parsed_6ota 1
104 1 . . . . . 3.37 0.00 3.37 parsed_6ota 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 1: restraints.tbl" 1 1 1 35 parsed_6ota 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6ota
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 16.8 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6ota 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.2 185.4 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6ota 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -27.8 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6ota 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.9 165.9 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6ota 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.6 -52.6 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6ota 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.3 -29.3 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6ota 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.5 168.1 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6ota 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.5 -40.5 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6ota 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.6 -18.6 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6ota 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6ota 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.7 -49.7 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6ota 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.0 -8.8 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6ota 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.0 159.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6ota 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.7 -7.7 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6ota 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.2 -50.2 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6ota 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.0 -3.8 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6ota 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6ota 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 2 . N . 2 . CA . 2 . CB . 2 . SG parsed_6ota 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . SG parsed_6ota 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . N . 11 . CA . 11 . CB . 11 . CG parsed_6ota 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_6ota 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_6ota 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6ota 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6ota 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 4 . N . 4 . CA . 4 . CB . 4 . OG parsed_6ota 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_6ota 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 8 . N . 8 . CA . 8 . CB . 8 . SG parsed_6ota 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . N . 16 . CA . 16 . CB . 16 . SG parsed_6ota 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "dihedral restraints from TALOSN" 1 1 1 33 parsed_6ota 1
2 "dihedral restraints from NOE data and coupling constants" 19 1 19 58 parsed_6ota 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6ota
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_6ota 2
2 1 . . . parsed_6ota 2
3 1 . . . parsed_6ota 2
4 1 . . . parsed_6ota 2
5 1 . . . parsed_6ota 2
6 1 . . . parsed_6ota 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 16 . HN parsed_6ota 2
1 1 2 . . . . . . . . . 3 . O parsed_6ota 2
2 1 1 . . . . . . . . . 16 . N parsed_6ota 2
2 1 2 . . . . . . . . . 3 . O parsed_6ota 2
3 1 1 . . . . . . . . . 14 . HN parsed_6ota 2
3 1 2 . . . . . . . . . 12 . OD1 parsed_6ota 2
4 1 1 . . . . . . . . . 14 . N parsed_6ota 2
4 1 2 . . . . . . . . . 12 . OD1 parsed_6ota 2
5 1 1 . . . . . . . . . 15 . HN parsed_6ota 2
5 1 2 . . . . . . . . . 12 . O parsed_6ota 2
6 1 1 . . . . . . . . . 15 . N parsed_6ota 2
6 1 2 . . . . . . . . . 12 . O parsed_6ota 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.30 0.00 2.30 parsed_6ota 2
2 1 . . . . . 3.30 0.00 3.30 parsed_6ota 2
3 1 . . . . . 2.30 0.00 2.30 parsed_6ota 2
4 1 . . . . . 3.30 0.00 3.30 parsed_6ota 2
5 1 . . . . . 2.30 0.00 2.30 parsed_6ota 2
6 1 . . . . . 3.30 0.00 3.30 parsed_6ota 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 "Hbonds based on slow exchange" 1 1 1 31 parsed_6ota 2
stop_
save_
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